4-azanyl-N5-(2-methoxyphenyl)-N5-[(2S)-1-(3-methylbutylamino)-1-oxidanylidene-hexan-2-yl]-1,2-thiazole-3,5-dicarboxamide

Systemtic Name: 4-azanyl-N5-(2-methoxyphenyl)-N5-[(2S)-1-(3-methylbutylamino)-1-oxidanylidene-hexan-2-yl]-1,2-thiazole-3,5-dicarboxamide Openeye Name: 4-amino-N5-[(1S)-1-(isopentylcarbamoyl)pentyl]-N5-(2-methoxyphenyl)isothiazole-3,5-dicarboxamide CAS Name: 4-amino-N5-(2-methoxyphenyl)-N5-[(2S)-1-(3-methylbutylamino)-1-oxohexan-2-yl]isothiazole-3,5-dicarboxamide IUPAC Name: 4-amino-5-N-(2-methoxyphenyl)-5-N-[(2S)-1-(3-methylbutylamino)-1-oxohexan-2-yl]-1,2-thiazole-3,5-dicarboxamide Traditional Name: 4-amino-N'-[(1S)-1-(isoamylcarbamoyl)pentyl]-N'-(2-methoxyphenyl)isothiazole-3,5-dicarboxamide Formula: C23H33N5O4S MolecularWeight: 475.60422

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)NCCC(C)C)N(C1=CC=CC=C1OC)C(=O)C2=C(C(=NS2)C(=O)N)N

Isomeric SMILES

CCCC[C@@H](C(=O)NCCC(C)C)N(C1=CC=CC=C1OC)C(=O)C2=C(C(=NS2)C(=O)N)N

InChI

InChI=1S/C23H33N5O4S/c1-5-6-9-16(22(30)26-13-12-14(2)3)28(15-10-7-8-11-17(15)32-4)23(31)20-18(24)19(21(25)29)27-33-20/h7-8,10-11,14,16H,5-6,9,12-13,24H2,1-4H3,(H2,25,29)(H,26,30)/t16-/m0/s1